methyl 4-[(2-naphthalen-1-ylacetyl)amino]thiophene-2-carboxylate

C18H15NO3S — CID 141275988

IUPACmethyl 4-[(2-naphthalen-1-ylacetyl)amino]thiophene-2-carboxylate
SMILESCOC(=O)c1cc(NC(=O)Cc2cccc3ccccc23)cs1
InChIInChI=1S/C18H15NO3S/c1-22-18(21)16-10-14(11-23-16)19-17(20)9-13-7-4-6-12-5-2-3-8-15(12)13/h2-8,10-11H,9H2,1H3,(H,19,20)
InChIKeyVTLZQMDYOFHJSW-UHFFFAOYSA-N
MW325.39 g/mol
LogP3.87
Rot. Bonds4

About methyl 4-[(2-naphthalen-1-ylacetyl)amino]thiophene-2-carboxylate

methyl 4-[(2-naphthalen-1-ylacetyl)amino]thiophene-2-carboxylate (PubChem CID 141275988) has the molecular formula C18H15NO3S and a molecular weight of 325.39 g/mol. Its IUPAC name is methyl 4-[(2-naphthalen-1-ylacetyl)amino]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[(2-naphthalen-1-ylacetyl)amino]thiophene-2-carboxylate
PubChem CID141275988
Molecular FormulaC18H15NO3S
Molecular Weight325.39 g/mol
Exact Mass325.08
IUPAC Namemethyl 4-[(2-naphthalen-1-ylacetyl)amino]thiophene-2-carboxylate
SMILESCOC(=O)c1cc(NC(=O)Cc2cccc3ccccc23)cs1
InChIInChI=1S/C18H15NO3S/c1-22-18(21)16-10-14(11-23-16)19-17(20)9-13-7-4-6-12-5-2-3-8-15(12)13/h2-8,10-11H,9H2,1H3,(H,19,20)
InChIKeyVTLZQMDYOFHJSW-UHFFFAOYSA-N
XLogP3.87
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-benzothiophen-5-yl)-2-naphthalen-1-ylacetamide
CID 23791200
methyl 4-methyl-2-[(2-naphthalen-1-ylacetyl)amino]thiophene-3-carboxylate
CID 68756461
dimethyl 2-[(2-naphthalen-1-ylacetyl)amino]benzene-1,4-dicarboxylate
CID 7314091
methyl 3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]benzoate
CID 86997342
N-(3,4-difluorophenyl)-2-naphthalen-1-ylacetamide
CID 7771712
N-methyl-3-[(2-naphthalen-1-ylacetyl)amino]benzamide
CID 10914143
2-naphthalen-1-yl-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 4844198
N-methyl-4-[(2-naphthalen-1-ylacetyl)amino]benzamide
CID 8700251
methyl 4-[(2-naphthalen-1-ylacetyl)amino]-1H-pyrazole-5-carboxylate
CID 52941226
N-(2-ethylphenyl)-2-naphthalen-1-ylacetamide
CID 1228282
methyl 4-cyano-3-methyl-5-[(2-naphthalen-1-ylacetyl)amino]thiophene-2-carboxylate
CID 44918890
2-naphthalen-1-yl-N-[4-(propan-2-ylcarbamoylamino)phenyl]acetamide
CID 38175338

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(2-naphthalen-1-ylacetyl)amino]thiophene-2-carboxylate?
The IUPAC name of methyl 4-[(2-naphthalen-1-ylacetyl)amino]thiophene-2-carboxylate (CID 141275988) is methyl 4-[(2-naphthalen-1-ylacetyl)amino]thiophene-2-carboxylate.
What is the SMILES notation for methyl 4-[(2-naphthalen-1-ylacetyl)amino]thiophene-2-carboxylate?
The canonical SMILES for methyl 4-[(2-naphthalen-1-ylacetyl)amino]thiophene-2-carboxylate is COC(=O)c1cc(NC(=O)Cc2cccc3ccccc23)cs1.
What is the InChIKey of methyl 4-[(2-naphthalen-1-ylacetyl)amino]thiophene-2-carboxylate?
The InChIKey is VTLZQMDYOFHJSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO3S/c1-22-18(21)16-10-14(11-23-16)19-17(20)9-13-7-4-6-12-5-2-3-8-15(12)13/h2-8,10-11H,9H2,1H3,(H,19,20).
What are the key properties of methyl 4-[(2-naphthalen-1-ylacetyl)amino]thiophene-2-carboxylate?
methyl 4-[(2-naphthalen-1-ylacetyl)amino]thiophene-2-carboxylate has a molecular weight of 325.39 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(2-naphthalen-1-ylacetyl)amino]thiophene-2-carboxylate is sourced from PubChem (CID 141275988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).